(2E)-2-(3,4-dimethoxyphenyl)-3-(4-isopropoxyphenyl)acrylic acid | 1422707-29-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (2E)-2-(3,4-dimethoxyphenyl)-3-(4-isopropoxyphenyl)acrylic acid
• 英文别名: (E)-2-(3,4-dimethoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
• CAS: 1422707-29-6
• 化学式: C₂₀H₂₂O₅
• 分子量: 342.392
• InChiKey: IOWYDPLKMDAQSL-GZTJUZNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 (2E)-2-(3,4-dimethoxyphenyl)-3-(4-isopropoxyphenyl)acrylic acid 在 吡啶 、 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以87%的产率得到methyl (2E)-2-(3,4-dimethoxyphenyl)-3-(4-isopropoxyphenyl)acrylate
  参考文献：
  名称：

  Stereospecific Synthesis and Biological Evaluation of Monodesmethyl Metabolites of (+)-13a-(S)-Deoxytylophorinine as Potential Antitumor Agents

  摘要：

  Three major monodesmethyl metabolites of (+)-13a-(S)-deoxytylophorinine were synthesized stereospecifically and their configurations at C-13a were determined. Biological assays revealed that one of the metabolites, 3-O-desmethyl-13a-(S)-deoxytylophorinine, had a higher cytotoxic potency than the parent compound or the positive controls doxorubicin (Adriamycin) and paclitaxel (Taxol).

  DOI：

  10.1055/s-0032-1316810
• 作为产物：
  描述：

  对羟基苯甲醛 在 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 (2E)-2-(3,4-dimethoxyphenyl)-3-(4-isopropoxyphenyl)acrylic acid
  参考文献：
  名称：

  Stereospecific Synthesis and Biological Evaluation of Monodesmethyl Metabolites of (+)-13a-(S)-Deoxytylophorinine as Potential Antitumor Agents

  摘要：

  Three major monodesmethyl metabolites of (+)-13a-(S)-deoxytylophorinine were synthesized stereospecifically and their configurations at C-13a were determined. Biological assays revealed that one of the metabolites, 3-O-desmethyl-13a-(S)-deoxytylophorinine, had a higher cytotoxic potency than the parent compound or the positive controls doxorubicin (Adriamycin) and paclitaxel (Taxol).

  DOI：

  10.1055/s-0032-1316810

文献信息

• Design, synthesis and biological evaluation of 1-phenanthryl-tetrahydroisoquinoline derivatives as novel p21-activated kinase 4 (PAK4) inhibitors
  作者：Shuai Song、Xiaodong Li、Jing Guo、Chenzhou Hao、Yan Feng、Bingyu Guo、Tongchao Liu、Qiaoling Zhang、Zhen Zhang、Ruijuan Li、Jian Wang、Bin Lin、Feng Li、Dongmei Zhao、Maosheng Cheng

  DOI：10.1039/c5ob00037h

  日期：——

  Following the screening of an in-house natural product database, 1-phenanthryltetrahydroisoquinoline analogues were synthesized as novel PAK4 inhibitors.

  通过对内部天然产物数据库的筛选，合成了作为新型PAK4抑制剂的1-苯并基四氢异喹啉类似物。